CID 7006530

Piperazine-2-carboxamide

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

C1CN[C@H](CN1)C(=O)N

InChI

InChI=1S/C5H11N3O/c6-5(9)4-3-7-1-2-8-4/h4,7-8H,1-3H2,(H2,6,9)/t4-/m1/s1

InChIKey

BRYCUMKDWMEGMK-SCSAIBSYSA-N

Compound name

(2R)-piperazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1069
Patents: 129.09021 Da
Monoisotopic Mass: -1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	130.09749	128.6
[M+Na]+	152.07943	133.0
[M-H]-	128.08293	125.4
[M+NH4]+	147.12403	145.4
[M+K]+	168.05337	130.6
[M+H-H2O]+	112.08747	121.9
[M+HCOO]-	174.08841	144.3
[M+CH3COO]-	188.10406	166.8
[M+Na-2H]-	150.06488	132.9
[M]+	129.08966	118.3
[M]-	129.09076	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe